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PDB: 55 件
3UGR
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BU of 3ugr by Molmil
AKR1C3 complex with indomethacin at pH 6.8
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ...
著者Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
登録日2011-11-02
公開日2012-08-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
3UG8
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BU of 3ug8 by Molmil
AKR1C3 complex with indomethacin at pH 7.5
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ...
著者Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
登録日2011-11-02
公開日2012-08-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
1KAC
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BU of 1kac by Molmil
KNOB DOMAIN FROM ADENOVIRUS SEROTYPE 12 IN COMPLEX WITH DOMAIN 1 OF ITS CELLULAR RECEPTOR CAR
分子名称: PROTEIN (COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR), PROTEIN (FIBER KNOB PROTEIN)
著者Bewley, M.C, Springer, K, Zhang, Y.B, Freimuth, P, Flanagan, J.M.
登録日1999-05-05
公開日1999-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of the mechanism of adenovirus binding to its human cellular receptor, CAR.
Science, 286, 1999
1P69
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BU of 1p69 by Molmil
STRUCTURAL BASIS FOR VARIATION IN ADENOVIRUS AFFINITY FOR THE CELLULAR RECEPTOR CAR (P417S MUTANT)
分子名称: Coxsackievirus and adenovirus receptor, Fiber protein
著者Howitt, J, Bewley, M.C, Graziano, V, Flanagan, J.M, Freimuth, P.
登録日2003-04-29
公開日2004-05-11
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for variation in adenovirus affinity for the cellular coxsackievirus and adenovirus receptor.
J.Biol.Chem., 278, 2003
3LJR
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BU of 3ljr by Molmil
GLUTATHIONE TRANSFERASE (THETA CLASS) FROM HUMAN IN COMPLEX WITH THE GLUTATHIONE CONJUGATE OF 1-MENAPHTHYL SULFATE
分子名称: 1-MENAPHTHYL GLUTATHIONE CONJUGATE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
著者Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W.
登録日1998-03-08
公開日1999-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
1BQZ
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BU of 1bqz by Molmil
J-DOMAIN (RESIDUES 1-77) OF THE ESCHERICHIA COLI N-TERMINAL FRAGMENT (RESIDUES 1-78) OF THE MOLECULAR CHAPERONE DNAJ, NMR, 20 STRUCTURES
分子名称: DNAJ
著者Huang, K, Flanagan, J.M, Prestegard, J.H.
登録日1998-08-20
公開日1999-06-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The influence of C-terminal extension on the structure of the "J-domain" in E. coli DnaJ.
Protein Sci., 8, 1999
1BQ0
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BU of 1bq0 by Molmil
J-DOMAIN (RESIDUES 1-77) OF THE ESCHERICHIA COLI N-TERMINAL FRAGMENT (RESIDUES 1-104) OF THE MOLECULAR CHAPERONE DNAJ, NMR, 20 STRUCTURES
分子名称: DNAJ
著者Huang, K, Flanagan, J.M, Prestegard, J.H.
登録日1998-08-20
公開日1999-06-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The influence of C-terminal extension on the structure of the "J-domain" in E. coli DnaJ.
Protein Sci., 8, 1999
3G7C
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BU of 3g7c by Molmil
Structure of the Phosphorylation Mimetic of Occludin C-term Tail
分子名称: Occludin
著者Tash, B.R, Sundstrom, J.M, Murakami, T, Flanagan, J.M, Bewley, M.C, Antonetii, D.A.
登録日2009-02-09
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and analysis of occludin phosphosites: a combined mass spectrometry and bioinformatics approach.
J.PROTEOME RES., 8, 2009
1P6A
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BU of 1p6a by Molmil
STRUCTURAL BASIS FOR VARIATION IN ADENOVIRUS AFFINITY FOR THE CELLULAR RECEPTOR CAR (S489Y MUTANT)
分子名称: Coxsackievirus and adenovirus receptor, Fiber protein
著者Howitt, J, Bewley, M.C, Graziano, V, Flanagan, J.M, Freimuth, P.
登録日2003-04-29
公開日2004-05-11
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for variation in adenovirus affinity for the cellular coxsackievirus and adenovirus receptor.
J.Biol.Chem., 278, 2003
4WRG
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BU of 4wrg by Molmil
1.9 angstrom structure of EGFR kinase domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SODIUM ION
著者Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
登録日2014-10-23
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 angstrom structure of EGFR kinase domain
To Be Published
4WRH
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BU of 4wrh by Molmil
AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
分子名称: 1,2-ETHANEDIOL, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, 5-methyl-4H-1,2,4-triazole-3-thiol, ...
著者Squire, C.J, Flanagan, J.U, Yosaatmadja, Y.
登録日2014-10-24
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3
To Be Published
1TYF
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BU of 1tyf by Molmil
THE STRUCTURE OF CLPP AT 2.3 ANGSTROM RESOLUTION SUGGESTS A MODEL FOR ATP-DEPENDENT PROTEOLYSIS
分子名称: CLP PEPTIDASE
著者Wang, J, Hartling, J.A, Flanagan, J.M.
登録日1997-10-13
公開日1998-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of ClpP at 2.3 A resolution suggests a model for ATP-dependent proteolysis.
Cell(Cambridge,Mass.), 91, 1997
2LJR
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BU of 2ljr by Molmil
GLUTATHIONE TRANSFERASE APO-FORM FROM HUMAN
分子名称: GLUTATHIONE S-TRANSFERASE
著者Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W.
登録日1998-03-08
公開日1999-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
1WNH
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BU of 1wnh by Molmil
Crystal structure of mouse Latexin (tissue carboxypeptidase inhibitor)
分子名称: Latexin
著者Aagaard, A, Listwan, P, Cowieson, N, Huber, T, Ravasi, T, Wells, C.A, Flanagan, J.U, Hume, D.A, Kobe, B, Martin, J.L.
登録日2004-08-04
公開日2005-02-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献An Inflammatory Role for the Mammalian Carboxypeptidase Inhibitor Latexin: Relationship to Cystatins and the Tumor Suppressor TIG1
Structure, 13, 2005
4ZAU
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BU of 4zau by Molmil
AZD9291 complex with wild type EGFR
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
登録日2015-04-14
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
1LJR
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BU of 1ljr by Molmil
GLUTATHIONE TRANSFERASE (HGST T2-2) FROM HUMAN
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
著者Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W.
登録日1998-03-08
公開日1999-03-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site.
Structure, 6, 1998
3UWE
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BU of 3uwe by Molmil
AKR1C3 complexed with 3-phenoxybenzoic acid
分子名称: 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ...
著者Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2011-12-01
公開日2012-04-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of AKR1C3 with 3-phenoxybenzoic acid bound
Acta Crystallogr.,Sect.F, 68, 2012
3UFY
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BU of 3ufy by Molmil
AKR1C3 complex with R-naproxen
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ...
著者Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M.
登録日2011-11-01
公開日2012-08-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
4FA3
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BU of 4fa3 by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86)
分子名称: (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
登録日2012-05-21
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAM
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BU of 4fam by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)
分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ...
著者Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
登録日2012-05-22
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4FAL
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BU of 4fal by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80)
分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ...
著者Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
登録日2012-05-22
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4HMN
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BU of 4hmn by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24)
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A.
登録日2012-10-18
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Bioorg.Med.Chem., 22, 2014
4H7C
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BU of 4h7c by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone
分子名称: 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A.
登録日2012-09-20
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
4DZ5
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BU of 4dz5 by Molmil
W227F active site mutant of AKR1C3
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
著者Squire, C.J, Yosaatmadja, Y, Flanagan, J.U.
登録日2012-02-29
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Validating PR-104A binding to AKR1C3
To be Published
4JQ2
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BU of 4jq2 by Molmil
AKR1C2 complex with sulindac
分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ...
著者Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
登録日2013-03-19
公開日2014-04-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of NSAID selectivity for the aldo-keto reductase 1C family
To be Published

 

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